Results 1 to 10 of about 272 (215)

Symmetry of Hydrogen Bonds: Application of NMR Method of Isotopic Perturbation and Relevance of Solvatomers

Molecules, 2023
Short, strong, symmetric, low-barrier hydrogen bonds (H-bonds) are thought to be of special significance. We have been searching for symmetric H-bonds by using the NMR technique of isotopic perturbation.
Charles L. Perrin
exaly   +3 more sources

Redetermination of the crystal structure of di-μ2-hydroxido-bis[di-tert-butylchloridotin(IV)] at 100 K

IUCrData, 2023
The structure of the dimeric title compound, [Sn2(C4H9)4Cl2(OH)2], was redetermined at 100 K by use of an area detector to provide new data to improve the structural parameters for detailed analysis.
Hans Reuter
doaj   +1 more source

1,5-Bis(2-hydroxy-3-methoxybenzylidene)carbonohydrazide methanol 0.47-solvate

Acta Crystallographica Section E, 2014
In the title compound, C17H18N4O5·0.47CH3OH, the virtually planar (r.m.s. deviation = 0.128 Å) carbonohydrazide molecule is located on a twofold axis and conformation of its C=N bonds is E.
Mouhamadou Moustapha Sow, Ousmane Diouf, Matar Seck, Aliou Hamady Barry, Mohamed Gaye   +4 more
doaj   +1 more source

(5Z,7Z)-N5,N7-Bis(pyridin-2-yl)-5H-6,7-dihydropyrrolo[3,4-b]pyrazine-5,7-diimine

IUCrData, 2018
The whole molecule of the title compound, C16H11N7, is relatively planar, with an r.m.s. deviation of 0.061 Å for all 23 heteroatoms. It exhibits symmetric three-centre (bifurcated) intramolecular hydrogen bonds. In the crystal, molecules are linked by C—
Maciej Posel, Helen Stoeckli-Evans
doaj   +1 more source

10,16-Dichloro-6,20-dioxa-3,23-diazatetracyclo[23.3.1.07,12.014,19]nonacosa-1(29),7,9,11,14(19),15,17,25,27-nonaene-4,22-dione methanol monosolvate

Acta Crystallographica Section E, 2012
In the title compound, C25H22Cl2N2O4·CH3OH, the macrocyclic molecule adopts a slightly distorted C2-symmetric conformation. The macrocyclic molecules are linked via N—H...O hydrogen bonds between the amide groups into chains extending ...
Michal Dušek, Zdeňka Sedláková, Emanuel Makrlík, Michaela Pojarová   +3 more
doaj   +1 more source

A second triclinic polymorph of (1-ammonio-1-phosphonoethyl)phosphonate

Acta Crystallographica Section E, 2011
The asymmetric unit of the second polymorph of the title compound, C2H9NO6P2, contains one molecule existing as a zwitterion. The N atom of the ammonio group is protonated and one of the phosphonic acid groups is deprotonated. Bond lengths and angles are
Natalia V. Tsaryk, Anatolij V. Dudko, Alexandra N. Kozachkova, Vasily I. Pekhnyo   +3 more
doaj   +1 more source

Synthesis and crystal structure of 2-chloro-1-(3-hydroxyphenyl)ethanone

Acta Crystallographica Section E: Crystallographic Communications, 2022
The structure of 2-chloro-1-(3-hydroxyphenyl)ethanone, C8H7ClO2, an α-haloketone is described. The molecule is planar (r.m.s. deviation = 0.0164 Å) and in the crystal, inversion-symmetric dimers are formed as a result of pairs of strong O—H...O and weak ...
Prabhakar Priyanka, Bidarur K. Jayanna, Vinaya, Holehundi J. Shankara Prasad, Thayamma R. Divakara, Hemmige S. Yathirajan, Sean Parkin   +6 more
doaj   +1 more source

A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems

IUCrJ, 2015
As halogen bonds gain prevalence in supramolecular synthesis and materials chemistry, it has become necessary to examine more closely how such interactions compete with or complement hydrogen bonds whenever both are present within the same system.
Christer B. Aakeröy, Christine L. Spartz, Sean Dembowski, Savannah Dwyre, John Desper   +4 more
doaj   +1 more source

4-Aminobenzoic acid 4-methylpyridine/4-methylpyridinium 4-aminobenzoate 0.58/0.42: a redetermination from the original data

Acta Crystallographica Section E: Crystallographic Communications, 2017
The title structure, 4-aminobenzoic acid 4-methylpyridine/4-methylpyridinium 4-aminobenzoate 0.58/0.42, 0.58(C6H7N·C7H7NO2)·0.42(C6H8N+·C7H6NO2−), has been redetermined from the data published by Kumar et al. (2015). Acta Cryst. E71, o125-o126.
Jan Fábry
doaj   +1 more source

Crystal structure of 3-[({2-[bis(2-hydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino)methyl]-2-hydroxy-5-methylbenzaldehyde

Acta Crystallographica Section E, 2014
The non-symmetric title molecule, C32H34N2O5, is based on a tetrasubstituted ethylenediamine backbone. The molecular structure consists of three hydroxybenzyl groups and one 2-hydroxy-5-methylbenzaldehyde group bonded to the N atoms of the diamine unit ...
Alexandra S. Fonseca, Adailton J. Bortoluzzi   +1 more
doaj   +1 more source